../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Ca Si
A5B3_tI32_140_cl_ah
a c/a x3 x4 z4
standard
1
7.6355 1.9327222 0.6125827 0.82061071 0.14040485
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000